3BC5
X-ray crystal structure of human ppar gamma with 2-(5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-03-26 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 66.300, 66.300, 156.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.270 |
| R-factor | 0.212 |
| Rwork | 0.210 |
| R-free | 0.24900 |
| Structure solution method | MR |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.528 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.059 | 0.334 |
| Number of reflections | 16428 | |
| <I/σ(I)> | 58.8 | 7.4 |
| Completeness [%] | 95.9 | 94.1 |
| Redundancy | 13.8 | 12.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 2.4M Na-Formate, 0.3M ammonium acetate, pH 7.5, vapor diffusion, hanging drop, temperature 294K |
